USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0454) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.4) USER MOD Single : A 11 SER OG : rot 180:sc= -0.905 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.67) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 57 THR OG1 : rot 86:sc= 0.0123 USER MOD Single : A 59 SER OG : rot 180:sc= 0.211 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-0.27) USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= -0.0505 (180deg=-0.416) USER MOD Single : A 69 MET CE :methyl -137:sc= -0.799 (180deg=-3.83!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -78:sc= 0.858 USER MOD ----------------------------------------------------------------- ATOM 97 N LYS A 4 6.703 2.689 -0.591 1.00 0.00 N ATOM 98 CA LYS A 4 5.338 2.614 -0.084 1.00 0.00 C ATOM 99 C LYS A 4 4.573 1.472 -0.746 1.00 0.00 C ATOM 100 O LYS A 4 5.007 0.927 -1.761 1.00 0.00 O ATOM 101 CB LYS A 4 4.609 3.937 -0.328 1.00 0.00 C ATOM 102 CG LYS A 4 5.209 5.110 0.430 1.00 0.00 C ATOM 103 CD LYS A 4 4.321 6.341 0.345 1.00 0.00 C ATOM 104 CE LYS A 4 5.072 7.598 0.752 1.00 0.00 C ATOM 105 NZ LYS A 4 6.016 8.049 -0.307 1.00 0.00 N ATOM 0 HA LYS A 4 5.385 2.423 0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.623 4.159 -1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.564 3.825 -0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.352 4.835 1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.194 5.342 0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.948 6.452 -0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.452 6.210 0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.359 8.394 0.965 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.623 7.409 1.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.368 9.000 -0.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.817 7.388 -0.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.524 8.075 -1.223 1.00 0.00 H new ATOM 119 N LEU A 5 3.435 1.114 -0.164 1.00 0.00 N ATOM 120 CA LEU A 5 2.608 0.036 -0.697 1.00 0.00 C ATOM 121 C LEU A 5 1.304 0.583 -1.270 1.00 0.00 C ATOM 122 O LEU A 5 0.667 1.449 -0.672 1.00 0.00 O ATOM 123 CB LEU A 5 2.307 -0.991 0.395 1.00 0.00 C ATOM 124 CG LEU A 5 3.463 -1.325 1.339 1.00 0.00 C ATOM 125 CD1 LEU A 5 2.955 -2.080 2.558 1.00 0.00 C ATOM 126 CD2 LEU A 5 4.529 -2.132 0.614 1.00 0.00 C ATOM 0 H LEU A 5 3.063 1.554 0.678 1.00 0.00 H new ATOM 0 HA LEU A 5 3.162 -0.450 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.472 -0.623 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.976 -1.913 -0.083 1.00 0.00 H new ATOM 0 HG LEU A 5 3.912 -0.391 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.791 -2.309 3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.230 -1.465 3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.479 -3.008 2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.343 -2.360 1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.094 -3.061 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.915 -1.554 -0.226 1.00 0.00 H new ATOM 138 N TYR A 6 0.913 0.069 -2.431 1.00 0.00 N ATOM 139 CA TYR A 6 -0.315 0.505 -3.085 1.00 0.00 C ATOM 140 C TYR A 6 -1.482 -0.405 -2.716 1.00 0.00 C ATOM 141 O TYR A 6 -1.389 -1.629 -2.828 1.00 0.00 O ATOM 142 CB TYR A 6 -0.129 0.526 -4.603 1.00 0.00 C ATOM 143 CG TYR A 6 -1.411 0.304 -5.373 1.00 0.00 C ATOM 144 CD1 TYR A 6 -2.498 1.155 -5.212 1.00 0.00 C ATOM 145 CD2 TYR A 6 -1.537 -0.757 -6.262 1.00 0.00 C ATOM 146 CE1 TYR A 6 -3.672 0.956 -5.912 1.00 0.00 C ATOM 147 CE2 TYR A 6 -2.706 -0.962 -6.968 1.00 0.00 C ATOM 148 CZ TYR A 6 -3.771 -0.104 -6.790 1.00 0.00 C ATOM 149 OH TYR A 6 -4.938 -0.306 -7.490 1.00 0.00 O ATOM 0 H TYR A 6 1.429 -0.650 -2.938 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.542 1.514 -2.740 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.299 1.485 -4.895 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.591 -0.243 -4.883 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.423 1.987 -4.527 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -0.706 -1.433 -6.403 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.508 1.626 -5.773 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -2.786 -1.790 -7.656 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.842 -1.094 -8.065 1.00 0.00 H new ATOM 159 N ILE A 7 -2.580 0.200 -2.277 1.00 0.00 N ATOM 160 CA ILE A 7 -3.766 -0.556 -1.893 1.00 0.00 C ATOM 161 C ILE A 7 -4.923 -0.285 -2.849 1.00 0.00 C ATOM 162 O ILE A 7 -5.362 0.854 -3.002 1.00 0.00 O ATOM 163 CB ILE A 7 -4.210 -0.216 -0.458 1.00 0.00 C ATOM 164 CG1 ILE A 7 -3.000 -0.171 0.477 1.00 0.00 C ATOM 165 CG2 ILE A 7 -5.231 -1.230 0.036 1.00 0.00 C ATOM 166 CD1 ILE A 7 -3.320 0.362 1.856 1.00 0.00 C ATOM 0 H ILE A 7 -2.673 1.211 -2.178 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.497 -1.611 -1.941 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.678 0.768 -0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.587 -1.175 0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.226 0.451 0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.535 -0.976 1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.103 -1.216 -0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.788 -2.226 0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.415 0.365 2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.705 1.378 1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.071 -0.273 2.326 1.00 0.00 H new ATOM 178 N GLY A 8 -5.414 -1.342 -3.489 1.00 0.00 N ATOM 179 CA GLY A 8 -6.518 -1.198 -4.421 1.00 0.00 C ATOM 180 C GLY A 8 -7.759 -1.940 -3.969 1.00 0.00 C ATOM 181 O GLY A 8 -7.709 -2.732 -3.028 1.00 0.00 O ATOM 0 H GLY A 8 -5.067 -2.295 -3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.754 -0.140 -4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.214 -1.568 -5.400 1.00 0.00 H new ATOM 185 N ASN A 9 -8.877 -1.683 -4.639 1.00 0.00 N ATOM 186 CA ASN A 9 -10.139 -2.331 -4.299 1.00 0.00 C ATOM 187 C ASN A 9 -10.666 -1.826 -2.958 1.00 0.00 C ATOM 188 O ASN A 9 -11.272 -2.579 -2.194 1.00 0.00 O ATOM 189 CB ASN A 9 -9.959 -3.850 -4.249 1.00 0.00 C ATOM 190 CG ASN A 9 -11.247 -4.595 -4.539 1.00 0.00 C ATOM 191 OD1 ASN A 9 -11.474 -5.053 -5.659 1.00 0.00 O ATOM 192 ND2 ASN A 9 -12.099 -4.717 -3.528 1.00 0.00 N ATOM 0 H ASN A 9 -8.935 -1.031 -5.421 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.866 -2.083 -5.072 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.200 -4.147 -4.973 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.590 -4.137 -3.264 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.984 -5.206 -3.663 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.869 -4.321 -2.617 1.00 0.00 H new ATOM 199 N LEU A 10 -10.431 -0.549 -2.679 1.00 0.00 N ATOM 200 CA LEU A 10 -10.882 0.057 -1.432 1.00 0.00 C ATOM 201 C LEU A 10 -12.216 0.771 -1.624 1.00 0.00 C ATOM 202 O LEU A 10 -12.399 1.518 -2.585 1.00 0.00 O ATOM 203 CB LEU A 10 -9.833 1.041 -0.912 1.00 0.00 C ATOM 204 CG LEU A 10 -8.550 0.424 -0.356 1.00 0.00 C ATOM 205 CD1 LEU A 10 -7.527 1.506 -0.048 1.00 0.00 C ATOM 206 CD2 LEU A 10 -8.849 -0.398 0.889 1.00 0.00 C ATOM 0 H LEU A 10 -9.931 0.087 -3.300 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.020 -0.738 -0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.565 1.717 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.289 1.647 -0.130 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.131 -0.239 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.620 1.048 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.289 2.053 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.937 2.195 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.924 -0.830 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.292 0.244 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.546 -1.198 0.638 1.00 0.00 H new ATOM 218 N SER A 11 -13.145 0.538 -0.703 1.00 0.00 N ATOM 219 CA SER A 11 -14.463 1.158 -0.772 1.00 0.00 C ATOM 220 C SER A 11 -14.362 2.670 -0.598 1.00 0.00 C ATOM 221 O SER A 11 -13.562 3.178 0.187 1.00 0.00 O ATOM 222 CB SER A 11 -15.383 0.570 0.300 1.00 0.00 C ATOM 223 OG SER A 11 -16.727 0.971 0.095 1.00 0.00 O ATOM 0 H SER A 11 -13.009 -0.076 0.100 1.00 0.00 H new ATOM 0 HA SER A 11 -14.884 0.951 -1.756 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.318 -0.518 0.282 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.050 0.893 1.286 1.00 0.00 H new ATOM 0 HG SER A 11 -17.295 0.581 0.792 1.00 0.00 H new ATOM 229 N PRO A 12 -15.194 3.407 -1.348 1.00 0.00 N ATOM 230 CA PRO A 12 -15.218 4.872 -1.296 1.00 0.00 C ATOM 231 C PRO A 12 -15.784 5.396 0.020 1.00 0.00 C ATOM 232 O PRO A 12 -15.881 6.605 0.228 1.00 0.00 O ATOM 233 CB PRO A 12 -16.135 5.254 -2.461 1.00 0.00 C ATOM 234 CG PRO A 12 -17.013 4.066 -2.656 1.00 0.00 C ATOM 235 CD PRO A 12 -16.174 2.868 -2.305 1.00 0.00 C ATOM 0 HA PRO A 12 -14.217 5.298 -1.366 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -16.719 6.145 -2.230 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.561 5.474 -3.361 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -17.896 4.124 -2.019 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.366 4.007 -3.685 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -16.774 2.073 -1.861 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -15.687 2.447 -3.185 1.00 0.00 H new ATOM 243 N ALA A 13 -16.157 4.478 0.906 1.00 0.00 N ATOM 244 CA ALA A 13 -16.710 4.847 2.203 1.00 0.00 C ATOM 245 C ALA A 13 -15.655 4.744 3.299 1.00 0.00 C ATOM 246 O ALA A 13 -15.856 5.224 4.415 1.00 0.00 O ATOM 247 CB ALA A 13 -17.907 3.968 2.535 1.00 0.00 C ATOM 0 H ALA A 13 -16.086 3.473 0.749 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.039 5.885 2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.310 4.254 3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.675 4.095 1.772 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.595 2.924 2.565 1.00 0.00 H new ATOM 253 N VAL A 14 -14.530 4.114 2.975 1.00 0.00 N ATOM 254 CA VAL A 14 -13.443 3.949 3.932 1.00 0.00 C ATOM 255 C VAL A 14 -12.687 5.257 4.137 1.00 0.00 C ATOM 256 O VAL A 14 -12.456 6.009 3.189 1.00 0.00 O ATOM 257 CB VAL A 14 -12.452 2.862 3.475 1.00 0.00 C ATOM 258 CG1 VAL A 14 -11.301 2.739 4.461 1.00 0.00 C ATOM 259 CG2 VAL A 14 -13.166 1.528 3.307 1.00 0.00 C ATOM 0 H VAL A 14 -14.348 3.709 2.057 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.896 3.643 4.875 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.040 3.153 2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.612 1.966 4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.775 3.691 4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.690 2.471 5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.451 0.771 2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.606 1.229 4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.952 1.628 2.559 1.00 0.00 H new ATOM 269 N THR A 15 -12.302 5.524 5.381 1.00 0.00 N ATOM 270 CA THR A 15 -11.572 6.742 5.711 1.00 0.00 C ATOM 271 C THR A 15 -10.194 6.420 6.278 1.00 0.00 C ATOM 272 O THR A 15 -9.910 5.276 6.634 1.00 0.00 O ATOM 273 CB THR A 15 -12.346 7.603 6.727 1.00 0.00 C ATOM 274 OG1 THR A 15 -12.715 6.809 7.861 1.00 0.00 O ATOM 275 CG2 THR A 15 -13.592 8.200 6.092 1.00 0.00 C ATOM 0 H THR A 15 -12.484 4.913 6.177 1.00 0.00 H new ATOM 0 HA THR A 15 -11.458 7.304 4.784 1.00 0.00 H new ATOM 0 HB THR A 15 -11.697 8.417 7.050 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.205 7.364 8.503 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.122 8.804 6.829 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.305 8.827 5.248 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.243 7.398 5.744 1.00 0.00 H new ATOM 283 N ALA A 16 -9.342 7.435 6.361 1.00 0.00 N ATOM 284 CA ALA A 16 -7.994 7.261 6.888 1.00 0.00 C ATOM 285 C ALA A 16 -8.025 6.616 8.269 1.00 0.00 C ATOM 286 O ALA A 16 -7.106 5.886 8.645 1.00 0.00 O ATOM 287 CB ALA A 16 -7.271 8.599 6.945 1.00 0.00 C ATOM 0 H ALA A 16 -9.561 8.388 6.070 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.451 6.596 6.216 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.266 8.453 7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.208 9.022 5.942 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.820 9.282 7.593 1.00 0.00 H new ATOM 293 N ASP A 17 -9.084 6.889 9.021 1.00 0.00 N ATOM 294 CA ASP A 17 -9.234 6.334 10.362 1.00 0.00 C ATOM 295 C ASP A 17 -9.420 4.821 10.306 1.00 0.00 C ATOM 296 O ASP A 17 -8.875 4.088 11.132 1.00 0.00 O ATOM 297 CB ASP A 17 -10.424 6.980 11.074 1.00 0.00 C ATOM 298 CG ASP A 17 -10.104 8.368 11.593 1.00 0.00 C ATOM 299 OD1 ASP A 17 -8.953 8.588 12.025 1.00 0.00 O ATOM 300 OD2 ASP A 17 -11.005 9.233 11.569 1.00 0.00 O ATOM 0 H ASP A 17 -9.852 7.491 8.726 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.324 6.550 10.922 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.267 7.038 10.386 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.734 6.347 11.905 1.00 0.00 H new ATOM 305 N ASP A 18 -10.192 4.360 9.328 1.00 0.00 N ATOM 306 CA ASP A 18 -10.449 2.934 9.164 1.00 0.00 C ATOM 307 C ASP A 18 -9.186 2.201 8.722 1.00 0.00 C ATOM 308 O ASP A 18 -8.891 1.105 9.199 1.00 0.00 O ATOM 309 CB ASP A 18 -11.567 2.709 8.146 1.00 0.00 C ATOM 310 CG ASP A 18 -12.940 2.686 8.789 1.00 0.00 C ATOM 311 OD1 ASP A 18 -13.033 2.303 9.975 1.00 0.00 O ATOM 312 OD2 ASP A 18 -13.921 3.052 8.108 1.00 0.00 O ATOM 0 H ASP A 18 -10.651 4.953 8.637 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.761 2.533 10.128 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.534 3.498 7.394 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.397 1.766 7.626 1.00 0.00 H new ATOM 317 N LEU A 19 -8.444 2.813 7.805 1.00 0.00 N ATOM 318 CA LEU A 19 -7.212 2.220 7.297 1.00 0.00 C ATOM 319 C LEU A 19 -6.184 2.060 8.412 1.00 0.00 C ATOM 320 O LEU A 19 -5.578 0.999 8.563 1.00 0.00 O ATOM 321 CB LEU A 19 -6.634 3.081 6.172 1.00 0.00 C ATOM 322 CG LEU A 19 -7.059 2.705 4.752 1.00 0.00 C ATOM 323 CD1 LEU A 19 -6.361 3.592 3.733 1.00 0.00 C ATOM 324 CD2 LEU A 19 -6.763 1.238 4.477 1.00 0.00 C ATOM 0 H LEU A 19 -8.674 3.720 7.398 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.449 1.232 6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.919 4.118 6.352 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.546 3.035 6.228 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.134 2.861 4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.676 3.310 2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.624 4.634 3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.282 3.469 3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.072 0.989 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.694 1.056 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.311 0.617 5.186 1.00 0.00 H new ATOM 336 N ARG A 20 -5.994 3.121 9.190 1.00 0.00 N ATOM 337 CA ARG A 20 -5.039 3.097 10.292 1.00 0.00 C ATOM 338 C ARG A 20 -5.464 2.092 11.359 1.00 0.00 C ATOM 339 O ARG A 20 -4.632 1.382 11.922 1.00 0.00 O ATOM 340 CB ARG A 20 -4.909 4.490 10.910 1.00 0.00 C ATOM 341 CG ARG A 20 -6.185 4.982 11.575 1.00 0.00 C ATOM 342 CD ARG A 20 -5.969 6.315 12.275 1.00 0.00 C ATOM 343 NE ARG A 20 -5.450 6.146 13.629 1.00 0.00 N ATOM 344 CZ ARG A 20 -4.946 7.138 14.353 1.00 0.00 C ATOM 345 NH1 ARG A 20 -4.893 8.366 13.855 1.00 0.00 N ATOM 346 NH2 ARG A 20 -4.493 6.904 15.578 1.00 0.00 N ATOM 0 H ARG A 20 -6.488 4.006 9.078 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.071 2.790 9.895 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.106 4.478 11.647 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.618 5.197 10.133 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.970 5.086 10.826 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.529 4.242 12.297 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.274 6.921 11.694 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.912 6.861 12.314 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.476 5.214 14.042 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.240 8.550 12.914 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.505 9.126 14.413 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.532 5.961 15.965 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.106 7.667 16.133 1.00 0.00 H new ATOM 360 N GLN A 21 -6.764 2.040 11.631 1.00 0.00 N ATOM 361 CA GLN A 21 -7.299 1.123 12.631 1.00 0.00 C ATOM 362 C GLN A 21 -7.145 -0.325 12.178 1.00 0.00 C ATOM 363 O GLN A 21 -6.952 -1.226 12.996 1.00 0.00 O ATOM 364 CB GLN A 21 -8.771 1.433 12.901 1.00 0.00 C ATOM 365 CG GLN A 21 -8.984 2.617 13.830 1.00 0.00 C ATOM 366 CD GLN A 21 -9.035 2.213 15.290 1.00 0.00 C ATOM 367 OE1 GLN A 21 -10.058 1.729 15.776 1.00 0.00 O ATOM 368 NE2 GLN A 21 -7.929 2.409 15.999 1.00 0.00 N ATOM 0 H GLN A 21 -7.466 2.622 11.173 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.733 1.258 13.553 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.272 1.631 11.953 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -9.245 0.552 13.334 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.179 3.337 13.684 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.914 3.120 13.564 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.104 2.813 15.556 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.905 2.156 16.987 1.00 0.00 H new ATOM 377 N LEU A 22 -7.234 -0.544 10.871 1.00 0.00 N ATOM 378 CA LEU A 22 -7.106 -1.884 10.309 1.00 0.00 C ATOM 379 C LEU A 22 -5.689 -2.418 10.493 1.00 0.00 C ATOM 380 O LEU A 22 -5.494 -3.543 10.954 1.00 0.00 O ATOM 381 CB LEU A 22 -7.470 -1.871 8.823 1.00 0.00 C ATOM 382 CG LEU A 22 -7.524 -3.236 8.135 1.00 0.00 C ATOM 383 CD1 LEU A 22 -8.663 -4.072 8.696 1.00 0.00 C ATOM 384 CD2 LEU A 22 -7.676 -3.068 6.630 1.00 0.00 C ATOM 0 H LEU A 22 -7.394 0.189 10.180 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.794 -2.542 10.840 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.442 -1.391 8.711 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.745 -1.249 8.297 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.587 -3.757 8.331 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.686 -5.039 8.194 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.513 -4.221 9.765 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.609 -3.556 8.531 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.713 -4.049 6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.597 -2.527 6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.827 -2.508 6.239 1.00 0.00 H new ATOM 396 N PHE A 23 -4.704 -1.604 10.132 1.00 0.00 N ATOM 397 CA PHE A 23 -3.304 -1.994 10.258 1.00 0.00 C ATOM 398 C PHE A 23 -2.927 -2.198 11.723 1.00 0.00 C ATOM 399 O PHE A 23 -2.137 -3.082 12.053 1.00 0.00 O ATOM 400 CB PHE A 23 -2.399 -0.933 9.630 1.00 0.00 C ATOM 401 CG PHE A 23 -2.213 -1.104 8.149 1.00 0.00 C ATOM 402 CD1 PHE A 23 -3.257 -0.853 7.274 1.00 0.00 C ATOM 403 CD2 PHE A 23 -0.995 -1.515 7.633 1.00 0.00 C ATOM 404 CE1 PHE A 23 -3.090 -1.009 5.911 1.00 0.00 C ATOM 405 CE2 PHE A 23 -0.822 -1.672 6.270 1.00 0.00 C ATOM 406 CZ PHE A 23 -1.871 -1.420 5.408 1.00 0.00 C ATOM 0 H PHE A 23 -4.849 -0.670 9.750 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.166 -2.938 9.730 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.820 0.053 9.824 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.424 -0.964 10.117 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.213 -0.532 7.661 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.171 -1.715 8.302 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.912 -0.810 5.240 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.133 -1.992 5.880 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.739 -1.544 4.343 1.00 0.00 H new ATOM 416 N GLY A 24 -3.498 -1.374 12.596 1.00 0.00 N ATOM 417 CA GLY A 24 -3.209 -1.481 14.014 1.00 0.00 C ATOM 418 C GLY A 24 -3.767 -2.750 14.626 1.00 0.00 C ATOM 419 O GLY A 24 -3.151 -3.342 15.512 1.00 0.00 O ATOM 0 H GLY A 24 -4.155 -0.635 12.347 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.130 -1.453 14.165 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.626 -0.618 14.533 1.00 0.00 H new ATOM 423 N ASP A 25 -4.935 -3.169 14.153 1.00 0.00 N ATOM 424 CA ASP A 25 -5.577 -4.377 14.660 1.00 0.00 C ATOM 425 C ASP A 25 -4.689 -5.597 14.436 1.00 0.00 C ATOM 426 O ASP A 25 -4.689 -6.532 15.238 1.00 0.00 O ATOM 427 CB ASP A 25 -6.931 -4.583 13.981 1.00 0.00 C ATOM 428 CG ASP A 25 -7.768 -5.644 14.670 1.00 0.00 C ATOM 429 OD1 ASP A 25 -7.383 -6.832 14.614 1.00 0.00 O ATOM 430 OD2 ASP A 25 -8.806 -5.287 15.264 1.00 0.00 O ATOM 0 H ASP A 25 -5.457 -2.690 13.419 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.733 -4.255 15.732 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.478 -3.640 13.974 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.773 -4.867 12.941 1.00 0.00 H new ATOM 435 N ARG A 26 -3.937 -5.583 13.341 1.00 0.00 N ATOM 436 CA ARG A 26 -3.047 -6.689 13.011 1.00 0.00 C ATOM 437 C ARG A 26 -1.687 -6.513 13.680 1.00 0.00 C ATOM 438 O ARG A 26 -0.719 -7.187 13.330 1.00 0.00 O ATOM 439 CB ARG A 26 -2.873 -6.796 11.495 1.00 0.00 C ATOM 440 CG ARG A 26 -3.897 -7.697 10.825 1.00 0.00 C ATOM 441 CD ARG A 26 -5.304 -7.407 11.322 1.00 0.00 C ATOM 442 NE ARG A 26 -6.315 -8.137 10.561 1.00 0.00 N ATOM 443 CZ ARG A 26 -7.620 -8.036 10.788 1.00 0.00 C ATOM 444 NH1 ARG A 26 -8.070 -7.239 11.747 1.00 0.00 N ATOM 445 NH2 ARG A 26 -8.478 -8.733 10.054 1.00 0.00 N ATOM 0 H ARG A 26 -3.926 -4.818 12.667 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.498 -7.609 13.384 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.939 -5.799 11.059 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.873 -7.173 11.279 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.855 -7.557 9.745 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.649 -8.740 11.021 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.379 -7.676 12.376 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.500 -6.337 11.252 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.002 -8.758 9.815 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.414 -6.701 12.313 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.073 -7.164 11.919 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.136 -9.347 9.315 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.480 -8.655 10.229 1.00 0.00 H new ATOM 459 N LYS A 27 -1.622 -5.600 14.643 1.00 0.00 N ATOM 460 CA LYS A 27 -0.382 -5.334 15.363 1.00 0.00 C ATOM 461 C LYS A 27 0.694 -4.810 14.417 1.00 0.00 C ATOM 462 O LYS A 27 1.867 -5.165 14.538 1.00 0.00 O ATOM 463 CB LYS A 27 0.111 -6.605 16.059 1.00 0.00 C ATOM 464 CG LYS A 27 -0.432 -6.776 17.467 1.00 0.00 C ATOM 465 CD LYS A 27 -1.787 -7.463 17.462 1.00 0.00 C ATOM 466 CE LYS A 27 -2.321 -7.654 18.874 1.00 0.00 C ATOM 467 NZ LYS A 27 -1.705 -8.834 19.544 1.00 0.00 N ATOM 0 H LYS A 27 -2.414 -5.031 14.943 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.584 -4.571 16.115 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.174 -7.471 15.461 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.200 -6.589 16.098 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.271 -7.360 18.061 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.519 -5.800 17.945 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.494 -6.871 16.882 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.703 -8.432 16.970 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.123 -6.758 19.462 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.403 -7.780 18.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.094 -8.931 20.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.915 -9.693 18.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.675 -8.703 19.600 1.00 0.00 H new ATOM 481 N LEU A 28 0.288 -3.963 13.477 1.00 0.00 N ATOM 482 CA LEU A 28 1.218 -3.388 12.512 1.00 0.00 C ATOM 483 C LEU A 28 1.094 -1.869 12.474 1.00 0.00 C ATOM 484 O LEU A 28 0.456 -1.295 11.590 1.00 0.00 O ATOM 485 CB LEU A 28 0.960 -3.967 11.120 1.00 0.00 C ATOM 486 CG LEU A 28 0.819 -5.488 11.040 1.00 0.00 C ATOM 487 CD1 LEU A 28 0.089 -5.891 9.768 1.00 0.00 C ATOM 488 CD2 LEU A 28 2.186 -6.154 11.106 1.00 0.00 C ATOM 0 H LEU A 28 -0.679 -3.659 13.363 1.00 0.00 H new ATOM 0 HA LEU A 28 2.231 -3.643 12.824 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.050 -3.517 10.724 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.777 -3.663 10.465 1.00 0.00 H new ATOM 0 HG LEU A 28 0.231 -5.824 11.894 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.002 -6.977 9.729 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.905 -5.443 9.761 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.650 -5.542 8.901 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.067 -7.236 11.048 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.798 -5.811 10.272 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.673 -5.893 12.045 1.00 0.00 H new ATOM 500 N PRO A 29 1.719 -1.199 13.454 1.00 0.00 N ATOM 501 CA PRO A 29 1.695 0.263 13.553 1.00 0.00 C ATOM 502 C PRO A 29 2.503 0.932 12.447 1.00 0.00 C ATOM 503 O PRO A 29 3.733 0.852 12.428 1.00 0.00 O ATOM 504 CB PRO A 29 2.329 0.536 14.920 1.00 0.00 C ATOM 505 CG PRO A 29 3.193 -0.649 15.180 1.00 0.00 C ATOM 506 CD PRO A 29 2.496 -1.818 14.540 1.00 0.00 C ATOM 0 HA PRO A 29 0.686 0.663 13.448 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.912 1.457 14.909 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.569 0.649 15.693 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.187 -0.508 14.756 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.323 -0.810 16.250 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.208 -2.550 14.158 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.852 -2.339 15.249 1.00 0.00 H new ATOM 514 N LEU A 30 1.807 1.593 11.529 1.00 0.00 N ATOM 515 CA LEU A 30 2.461 2.277 10.419 1.00 0.00 C ATOM 516 C LEU A 30 3.452 3.319 10.929 1.00 0.00 C ATOM 517 O LEU A 30 3.065 4.420 11.317 1.00 0.00 O ATOM 518 CB LEU A 30 1.418 2.946 9.521 1.00 0.00 C ATOM 519 CG LEU A 30 0.283 2.049 9.028 1.00 0.00 C ATOM 520 CD1 LEU A 30 -0.964 2.872 8.743 1.00 0.00 C ATOM 521 CD2 LEU A 30 0.711 1.279 7.787 1.00 0.00 C ATOM 0 H LEU A 30 0.790 1.670 11.531 1.00 0.00 H new ATOM 0 HA LEU A 30 3.009 1.534 9.839 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.982 3.783 10.066 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.929 3.362 8.653 1.00 0.00 H new ATOM 0 HG LEU A 30 0.047 1.331 9.813 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.761 2.216 8.393 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.283 3.376 9.655 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.743 3.615 7.976 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.110 0.646 7.451 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.975 1.981 6.996 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.575 0.658 8.024 1.00 0.00 H new ATOM 533 N ALA A 31 4.732 2.962 10.924 1.00 0.00 N ATOM 534 CA ALA A 31 5.778 3.867 11.383 1.00 0.00 C ATOM 535 C ALA A 31 6.197 4.829 10.275 1.00 0.00 C ATOM 536 O ALA A 31 7.369 5.181 10.156 1.00 0.00 O ATOM 537 CB ALA A 31 6.979 3.077 11.879 1.00 0.00 C ATOM 0 H ALA A 31 5.069 2.053 10.607 1.00 0.00 H new ATOM 0 HA ALA A 31 5.378 4.456 12.208 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.752 3.766 12.219 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.676 2.435 12.706 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.371 2.463 11.068 1.00 0.00 H new ATOM 543 N GLY A 32 5.229 5.249 9.466 1.00 0.00 N ATOM 544 CA GLY A 32 5.517 6.166 8.378 1.00 0.00 C ATOM 545 C GLY A 32 4.341 7.065 8.050 1.00 0.00 C ATOM 546 O GLY A 32 3.571 7.437 8.935 1.00 0.00 O ATOM 0 H GLY A 32 4.251 4.971 9.544 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.377 6.781 8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.794 5.597 7.491 1.00 0.00 H new ATOM 550 N GLN A 33 4.204 7.416 6.775 1.00 0.00 N ATOM 551 CA GLN A 33 3.115 8.279 6.334 1.00 0.00 C ATOM 552 C GLN A 33 1.995 7.461 5.700 1.00 0.00 C ATOM 553 O GLN A 33 2.234 6.390 5.141 1.00 0.00 O ATOM 554 CB GLN A 33 3.631 9.317 5.336 1.00 0.00 C ATOM 555 CG GLN A 33 2.573 10.316 4.897 1.00 0.00 C ATOM 556 CD GLN A 33 2.440 11.486 5.853 1.00 0.00 C ATOM 557 OE1 GLN A 33 2.712 11.359 7.048 1.00 0.00 O ATOM 558 NE2 GLN A 33 2.021 12.633 5.333 1.00 0.00 N ATOM 0 H GLN A 33 4.833 7.116 6.030 1.00 0.00 H new ATOM 0 HA GLN A 33 2.715 8.793 7.208 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.465 9.857 5.784 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.020 8.802 4.457 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.822 10.690 3.904 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.612 9.808 4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.807 12.694 4.338 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.913 13.454 5.929 1.00 0.00 H new ATOM 567 N VAL A 34 0.772 7.972 5.791 1.00 0.00 N ATOM 568 CA VAL A 34 -0.386 7.288 5.226 1.00 0.00 C ATOM 569 C VAL A 34 -1.105 8.173 4.214 1.00 0.00 C ATOM 570 O VAL A 34 -1.302 9.366 4.443 1.00 0.00 O ATOM 571 CB VAL A 34 -1.382 6.870 6.324 1.00 0.00 C ATOM 572 CG1 VAL A 34 -2.471 5.979 5.746 1.00 0.00 C ATOM 573 CG2 VAL A 34 -0.656 6.169 7.462 1.00 0.00 C ATOM 0 H VAL A 34 0.557 8.857 6.250 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.013 6.395 4.725 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.854 7.768 6.723 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.165 5.694 6.536 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.009 6.520 4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.020 5.083 5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.375 5.880 8.229 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.155 5.279 7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.083 6.844 7.893 1.00 0.00 H new ATOM 583 N LEU A 35 -1.497 7.578 3.092 1.00 0.00 N ATOM 584 CA LEU A 35 -2.196 8.312 2.042 1.00 0.00 C ATOM 585 C LEU A 35 -3.473 7.587 1.629 1.00 0.00 C ATOM 586 O LEU A 35 -3.447 6.401 1.295 1.00 0.00 O ATOM 587 CB LEU A 35 -1.284 8.495 0.828 1.00 0.00 C ATOM 588 CG LEU A 35 -0.403 9.745 0.832 1.00 0.00 C ATOM 589 CD1 LEU A 35 0.935 9.451 1.492 1.00 0.00 C ATOM 590 CD2 LEU A 35 -0.199 10.258 -0.586 1.00 0.00 C ATOM 0 H LEU A 35 -1.343 6.591 2.886 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.468 9.291 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.638 7.620 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.905 8.515 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.907 10.521 1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.549 10.351 1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.771 9.131 2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.446 8.660 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.430 11.148 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.284 9.487 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.165 10.507 -1.025 1.00 0.00 H new ATOM 602 N LEU A 36 -4.589 8.306 1.651 1.00 0.00 N ATOM 603 CA LEU A 36 -5.877 7.733 1.277 1.00 0.00 C ATOM 604 C LEU A 36 -6.471 8.464 0.077 1.00 0.00 C ATOM 605 O LEU A 36 -6.815 9.643 0.163 1.00 0.00 O ATOM 606 CB LEU A 36 -6.848 7.794 2.458 1.00 0.00 C ATOM 607 CG LEU A 36 -8.306 7.457 2.146 1.00 0.00 C ATOM 608 CD1 LEU A 36 -8.445 5.993 1.761 1.00 0.00 C ATOM 609 CD2 LEU A 36 -9.196 7.783 3.338 1.00 0.00 C ATOM 0 H LEU A 36 -4.628 9.288 1.924 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.716 6.691 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.495 7.109 3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.811 8.798 2.882 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.626 8.066 1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.490 5.772 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.839 5.790 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.106 5.366 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.230 7.537 3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.875 7.200 4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.120 8.846 3.569 1.00 0.00 H new ATOM 621 N LYS A 37 -6.592 7.755 -1.040 1.00 0.00 N ATOM 622 CA LYS A 37 -7.147 8.335 -2.257 1.00 0.00 C ATOM 623 C LYS A 37 -8.513 7.734 -2.571 1.00 0.00 C ATOM 624 O LYS A 37 -8.857 6.658 -2.080 1.00 0.00 O ATOM 625 CB LYS A 37 -6.196 8.108 -3.435 1.00 0.00 C ATOM 626 CG LYS A 37 -4.837 8.762 -3.253 1.00 0.00 C ATOM 627 CD LYS A 37 -4.933 10.276 -3.318 1.00 0.00 C ATOM 628 CE LYS A 37 -4.756 10.786 -4.740 1.00 0.00 C ATOM 629 NZ LYS A 37 -5.510 12.049 -4.976 1.00 0.00 N ATOM 0 H LYS A 37 -6.313 6.778 -1.128 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.268 9.406 -2.097 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.058 7.036 -3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.657 8.495 -4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.415 8.464 -2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.155 8.406 -4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.901 10.597 -2.933 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.172 10.718 -2.675 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.697 10.954 -4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.094 10.025 -5.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.363 12.363 -5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.524 11.884 -4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.170 12.783 -4.323 1.00 0.00 H new ATOM 643 N SER A 38 -9.289 8.433 -3.394 1.00 0.00 N ATOM 644 CA SER A 38 -10.618 7.970 -3.772 1.00 0.00 C ATOM 645 C SER A 38 -10.530 6.725 -4.651 1.00 0.00 C ATOM 646 O SER A 38 -10.436 6.822 -5.874 1.00 0.00 O ATOM 647 CB SER A 38 -11.377 9.075 -4.507 1.00 0.00 C ATOM 648 OG SER A 38 -11.680 10.151 -3.636 1.00 0.00 O ATOM 0 H SER A 38 -9.019 9.323 -3.812 1.00 0.00 H new ATOM 0 HA SER A 38 -11.159 7.713 -2.861 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.779 9.437 -5.343 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.299 8.671 -4.926 1.00 0.00 H new ATOM 0 HG SER A 38 -12.164 10.845 -4.130 1.00 0.00 H new ATOM 654 N GLY A 39 -10.561 5.557 -4.018 1.00 0.00 N ATOM 655 CA GLY A 39 -10.484 4.311 -4.758 1.00 0.00 C ATOM 656 C GLY A 39 -9.247 3.506 -4.410 1.00 0.00 C ATOM 657 O GLY A 39 -9.172 2.313 -4.704 1.00 0.00 O ATOM 0 H GLY A 39 -10.638 5.451 -3.006 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.372 3.714 -4.552 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.485 4.526 -5.827 1.00 0.00 H new ATOM 661 N TYR A 40 -8.274 4.160 -3.785 1.00 0.00 N ATOM 662 CA TYR A 40 -7.034 3.498 -3.400 1.00 0.00 C ATOM 663 C TYR A 40 -6.359 4.234 -2.246 1.00 0.00 C ATOM 664 O TYR A 40 -6.830 5.281 -1.804 1.00 0.00 O ATOM 665 CB TYR A 40 -6.081 3.421 -4.595 1.00 0.00 C ATOM 666 CG TYR A 40 -5.947 4.725 -5.349 1.00 0.00 C ATOM 667 CD1 TYR A 40 -6.929 5.140 -6.240 1.00 0.00 C ATOM 668 CD2 TYR A 40 -4.840 5.545 -5.167 1.00 0.00 C ATOM 669 CE1 TYR A 40 -6.810 6.330 -6.930 1.00 0.00 C ATOM 670 CE2 TYR A 40 -4.713 6.737 -5.852 1.00 0.00 C ATOM 671 CZ TYR A 40 -5.700 7.126 -6.733 1.00 0.00 C ATOM 672 OH TYR A 40 -5.579 8.313 -7.418 1.00 0.00 O ATOM 0 H TYR A 40 -8.320 5.148 -3.534 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.278 2.488 -3.071 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.097 3.111 -4.244 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.433 2.650 -5.280 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.800 4.521 -6.396 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.065 5.244 -4.477 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.582 6.636 -7.621 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.845 7.361 -5.699 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.741 8.753 -7.164 1.00 0.00 H new ATOM 682 N ALA A 41 -5.254 3.676 -1.763 1.00 0.00 N ATOM 683 CA ALA A 41 -4.512 4.278 -0.662 1.00 0.00 C ATOM 684 C ALA A 41 -3.087 3.740 -0.601 1.00 0.00 C ATOM 685 O ALA A 41 -2.830 2.592 -0.965 1.00 0.00 O ATOM 686 CB ALA A 41 -5.230 4.028 0.656 1.00 0.00 C ATOM 0 H ALA A 41 -4.853 2.808 -2.117 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.459 5.353 -0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.665 4.483 1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.227 4.467 0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.313 2.955 0.827 1.00 0.00 H new ATOM 692 N PHE A 42 -2.163 4.576 -0.139 1.00 0.00 N ATOM 693 CA PHE A 42 -0.763 4.185 -0.032 1.00 0.00 C ATOM 694 C PHE A 42 -0.287 4.257 1.416 1.00 0.00 C ATOM 695 O PHE A 42 -0.723 5.116 2.182 1.00 0.00 O ATOM 696 CB PHE A 42 0.109 5.084 -0.913 1.00 0.00 C ATOM 697 CG PHE A 42 -0.476 5.339 -2.273 1.00 0.00 C ATOM 698 CD1 PHE A 42 -0.275 4.440 -3.308 1.00 0.00 C ATOM 699 CD2 PHE A 42 -1.227 6.477 -2.516 1.00 0.00 C ATOM 700 CE1 PHE A 42 -0.812 4.673 -4.560 1.00 0.00 C ATOM 701 CE2 PHE A 42 -1.767 6.716 -3.766 1.00 0.00 C ATOM 702 CZ PHE A 42 -1.559 5.812 -4.790 1.00 0.00 C ATOM 0 H PHE A 42 -2.359 5.529 0.167 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.673 3.154 -0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.261 6.037 -0.407 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.090 4.624 -1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.308 3.547 -3.134 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.393 7.187 -1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.648 3.965 -5.358 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.350 7.608 -3.942 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.979 5.995 -5.768 1.00 0.00 H new ATOM 712 N VAL A 43 0.612 3.350 1.783 1.00 0.00 N ATOM 713 CA VAL A 43 1.149 3.310 3.138 1.00 0.00 C ATOM 714 C VAL A 43 2.653 3.062 3.127 1.00 0.00 C ATOM 715 O VAL A 43 3.157 2.275 2.326 1.00 0.00 O ATOM 716 CB VAL A 43 0.465 2.215 3.980 1.00 0.00 C ATOM 717 CG1 VAL A 43 -1.001 2.551 4.204 1.00 0.00 C ATOM 718 CG2 VAL A 43 0.614 0.858 3.310 1.00 0.00 C ATOM 0 H VAL A 43 0.984 2.633 1.161 1.00 0.00 H new ATOM 0 HA VAL A 43 0.948 4.283 3.587 1.00 0.00 H new ATOM 0 HB VAL A 43 0.954 2.170 4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.467 1.767 4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.080 3.502 4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.508 2.625 3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.125 0.096 3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.152 0.887 2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.672 0.617 3.208 1.00 0.00 H new ATOM 728 N ASP A 44 3.365 3.739 4.020 1.00 0.00 N ATOM 729 CA ASP A 44 4.813 3.591 4.114 1.00 0.00 C ATOM 730 C ASP A 44 5.183 2.482 5.095 1.00 0.00 C ATOM 731 O ASP A 44 4.806 2.523 6.266 1.00 0.00 O ATOM 732 CB ASP A 44 5.454 4.910 4.551 1.00 0.00 C ATOM 733 CG ASP A 44 6.892 5.035 4.090 1.00 0.00 C ATOM 734 OD1 ASP A 44 7.793 4.574 4.823 1.00 0.00 O ATOM 735 OD2 ASP A 44 7.118 5.593 2.996 1.00 0.00 O ATOM 0 H ASP A 44 2.964 4.396 4.689 1.00 0.00 H new ATOM 0 HA ASP A 44 5.191 3.321 3.128 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.874 5.742 4.152 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.416 4.987 5.638 1.00 0.00 H new ATOM 740 N TYR A 45 5.923 1.493 4.608 1.00 0.00 N ATOM 741 CA TYR A 45 6.342 0.370 5.439 1.00 0.00 C ATOM 742 C TYR A 45 7.709 0.634 6.061 1.00 0.00 C ATOM 743 O TYR A 45 8.592 1.240 5.452 1.00 0.00 O ATOM 744 CB TYR A 45 6.385 -0.916 4.613 1.00 0.00 C ATOM 745 CG TYR A 45 7.454 -0.913 3.544 1.00 0.00 C ATOM 746 CD1 TYR A 45 8.768 -1.249 3.847 1.00 0.00 C ATOM 747 CD2 TYR A 45 7.150 -0.576 2.230 1.00 0.00 C ATOM 748 CE1 TYR A 45 9.748 -1.249 2.873 1.00 0.00 C ATOM 749 CE2 TYR A 45 8.124 -0.573 1.250 1.00 0.00 C ATOM 750 CZ TYR A 45 9.422 -0.910 1.577 1.00 0.00 C ATOM 751 OH TYR A 45 10.395 -0.908 0.604 1.00 0.00 O ATOM 0 H TYR A 45 6.246 1.446 3.642 1.00 0.00 H new ATOM 0 HA TYR A 45 5.614 0.253 6.241 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.553 -1.761 5.280 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.413 -1.069 4.143 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.028 -1.515 4.861 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.135 -0.312 1.971 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.764 -1.513 3.126 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.871 -0.308 0.234 1.00 0.00 H new ATOM 0 HH TYR A 45 9.999 -0.648 -0.254 1.00 0.00 H new ATOM 761 N PRO A 46 7.892 0.168 7.306 1.00 0.00 N ATOM 762 CA PRO A 46 9.150 0.340 8.039 1.00 0.00 C ATOM 763 C PRO A 46 10.280 -0.500 7.455 1.00 0.00 C ATOM 764 O PRO A 46 11.427 -0.057 7.396 1.00 0.00 O ATOM 765 CB PRO A 46 8.804 -0.138 9.451 1.00 0.00 C ATOM 766 CG PRO A 46 7.668 -1.083 9.265 1.00 0.00 C ATOM 767 CD PRO A 46 6.884 -0.562 8.093 1.00 0.00 C ATOM 0 HA PRO A 46 9.509 1.368 7.998 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.655 -0.630 9.922 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.523 0.697 10.093 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.028 -2.094 9.075 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.048 -1.129 10.160 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.435 -1.372 7.518 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.072 0.092 8.411 1.00 0.00 H new ATOM 775 N ASP A 47 9.949 -1.711 7.023 1.00 0.00 N ATOM 776 CA ASP A 47 10.937 -2.612 6.441 1.00 0.00 C ATOM 777 C ASP A 47 10.289 -3.545 5.423 1.00 0.00 C ATOM 778 O ASP A 47 9.065 -3.656 5.361 1.00 0.00 O ATOM 779 CB ASP A 47 11.622 -3.430 7.538 1.00 0.00 C ATOM 780 CG ASP A 47 12.812 -2.708 8.140 1.00 0.00 C ATOM 781 OD1 ASP A 47 13.653 -2.204 7.368 1.00 0.00 O ATOM 782 OD2 ASP A 47 12.901 -2.650 9.384 1.00 0.00 O ATOM 0 H ASP A 47 9.004 -2.092 7.065 1.00 0.00 H new ATOM 0 HA ASP A 47 11.685 -2.008 5.928 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.901 -3.654 8.324 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.950 -4.384 7.125 1.00 0.00 H new ATOM 787 N GLN A 48 11.119 -4.212 4.628 1.00 0.00 N ATOM 788 CA GLN A 48 10.625 -5.134 3.611 1.00 0.00 C ATOM 789 C GLN A 48 9.898 -6.312 4.251 1.00 0.00 C ATOM 790 O GLN A 48 8.871 -6.767 3.750 1.00 0.00 O ATOM 791 CB GLN A 48 11.782 -5.642 2.748 1.00 0.00 C ATOM 792 CG GLN A 48 11.361 -6.668 1.709 1.00 0.00 C ATOM 793 CD GLN A 48 12.543 -7.323 1.024 1.00 0.00 C ATOM 794 OE1 GLN A 48 13.660 -6.805 1.055 1.00 0.00 O ATOM 795 NE2 GLN A 48 12.305 -8.470 0.399 1.00 0.00 N ATOM 0 H GLN A 48 12.135 -4.132 4.668 1.00 0.00 H new ATOM 0 HA GLN A 48 9.919 -4.594 2.980 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.247 -4.795 2.243 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.541 -6.083 3.395 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.752 -7.435 2.187 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.734 -6.185 0.960 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.364 -8.865 0.398 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.063 -8.957 -0.080 1.00 0.00 H new ATOM 804 N ASN A 49 10.439 -6.802 5.362 1.00 0.00 N ATOM 805 CA ASN A 49 9.842 -7.928 6.071 1.00 0.00 C ATOM 806 C ASN A 49 8.449 -7.573 6.582 1.00 0.00 C ATOM 807 O ASN A 49 7.506 -8.349 6.434 1.00 0.00 O ATOM 808 CB ASN A 49 10.735 -8.352 7.240 1.00 0.00 C ATOM 809 CG ASN A 49 10.289 -9.662 7.861 1.00 0.00 C ATOM 810 OD1 ASN A 49 9.338 -9.699 8.643 1.00 0.00 O ATOM 811 ND2 ASN A 49 10.975 -10.744 7.516 1.00 0.00 N ATOM 0 H ASN A 49 11.290 -6.437 5.791 1.00 0.00 H new ATOM 0 HA ASN A 49 9.751 -8.759 5.372 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.763 -8.449 6.892 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.729 -7.571 8.001 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.721 -11.653 7.902 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.756 -10.666 6.864 1.00 0.00 H new ATOM 818 N TRP A 50 8.329 -6.395 7.184 1.00 0.00 N ATOM 819 CA TRP A 50 7.051 -5.936 7.716 1.00 0.00 C ATOM 820 C TRP A 50 6.007 -5.829 6.609 1.00 0.00 C ATOM 821 O TRP A 50 4.858 -6.232 6.786 1.00 0.00 O ATOM 822 CB TRP A 50 7.219 -4.583 8.408 1.00 0.00 C ATOM 823 CG TRP A 50 5.932 -4.015 8.924 1.00 0.00 C ATOM 824 CD1 TRP A 50 5.486 -4.033 10.215 1.00 0.00 C ATOM 825 CD2 TRP A 50 4.924 -3.345 8.159 1.00 0.00 C ATOM 826 NE1 TRP A 50 4.262 -3.417 10.299 1.00 0.00 N ATOM 827 CE2 TRP A 50 3.895 -2.985 9.051 1.00 0.00 C ATOM 828 CE3 TRP A 50 4.790 -3.014 6.808 1.00 0.00 C ATOM 829 CZ2 TRP A 50 2.750 -2.311 8.633 1.00 0.00 C ATOM 830 CZ3 TRP A 50 3.653 -2.345 6.395 1.00 0.00 C ATOM 831 CH2 TRP A 50 2.646 -1.999 7.306 1.00 0.00 C ATOM 0 H TRP A 50 9.100 -5.741 7.316 1.00 0.00 H new ATOM 0 HA TRP A 50 6.706 -6.668 8.446 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.918 -4.692 9.237 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.664 -3.877 7.707 1.00 0.00 H new ATOM 0 HD1 TRP A 50 6.018 -4.468 11.048 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.715 -3.300 11.152 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.561 -3.276 6.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.972 -2.044 9.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.539 -2.085 5.353 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.770 -1.475 6.953 1.00 0.00 H new ATOM 842 N ALA A 51 6.415 -5.281 5.469 1.00 0.00 N ATOM 843 CA ALA A 51 5.515 -5.123 4.333 1.00 0.00 C ATOM 844 C ALA A 51 5.007 -6.474 3.842 1.00 0.00 C ATOM 845 O ALA A 51 3.816 -6.643 3.579 1.00 0.00 O ATOM 846 CB ALA A 51 6.214 -4.378 3.205 1.00 0.00 C ATOM 0 H ALA A 51 7.362 -4.939 5.308 1.00 0.00 H new ATOM 0 HA ALA A 51 4.655 -4.539 4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.530 -4.267 2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.521 -3.392 3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.092 -4.940 2.887 1.00 0.00 H new ATOM 852 N ILE A 52 5.918 -7.434 3.719 1.00 0.00 N ATOM 853 CA ILE A 52 5.562 -8.771 3.259 1.00 0.00 C ATOM 854 C ILE A 52 4.546 -9.420 4.193 1.00 0.00 C ATOM 855 O ILE A 52 3.566 -10.013 3.744 1.00 0.00 O ATOM 856 CB ILE A 52 6.802 -9.679 3.156 1.00 0.00 C ATOM 857 CG1 ILE A 52 7.792 -9.112 2.137 1.00 0.00 C ATOM 858 CG2 ILE A 52 6.391 -11.093 2.774 1.00 0.00 C ATOM 859 CD1 ILE A 52 9.200 -9.637 2.306 1.00 0.00 C ATOM 0 H ILE A 52 6.908 -7.311 3.931 1.00 0.00 H new ATOM 0 HA ILE A 52 5.121 -8.658 2.268 1.00 0.00 H new ATOM 0 HB ILE A 52 7.292 -9.714 4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.443 -9.349 1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.805 -8.025 2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.277 -11.723 2.705 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.719 -11.494 3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.882 -11.076 1.810 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.847 -9.192 1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.569 -9.377 3.298 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.200 -10.721 2.192 1.00 0.00 H new ATOM 871 N ARG A 53 4.787 -9.303 5.495 1.00 0.00 N ATOM 872 CA ARG A 53 3.894 -9.879 6.493 1.00 0.00 C ATOM 873 C ARG A 53 2.566 -9.127 6.531 1.00 0.00 C ATOM 874 O ARG A 53 1.501 -9.734 6.627 1.00 0.00 O ATOM 875 CB ARG A 53 4.550 -9.847 7.875 1.00 0.00 C ATOM 876 CG ARG A 53 3.756 -10.584 8.941 1.00 0.00 C ATOM 877 CD ARG A 53 4.111 -12.062 8.978 1.00 0.00 C ATOM 878 NE ARG A 53 5.220 -12.337 9.887 1.00 0.00 N ATOM 879 CZ ARG A 53 5.138 -12.208 11.206 1.00 0.00 C ATOM 880 NH1 ARG A 53 4.004 -11.811 11.767 1.00 0.00 N ATOM 881 NH2 ARG A 53 6.191 -12.477 11.967 1.00 0.00 N ATOM 0 H ARG A 53 5.594 -8.814 5.883 1.00 0.00 H new ATOM 0 HA ARG A 53 3.699 -10.915 6.215 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.545 -10.286 7.806 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.680 -8.809 8.183 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.952 -10.137 9.916 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.690 -10.470 8.746 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.238 -12.637 9.287 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.374 -12.397 7.974 1.00 0.00 H new ATOM 0 HE ARG A 53 6.106 -12.645 9.487 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.192 -11.604 11.185 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.943 -11.713 12.780 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.065 -12.783 11.539 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.127 -12.378 12.980 1.00 0.00 H new ATOM 895 N ALA A 54 2.640 -7.802 6.456 1.00 0.00 N ATOM 896 CA ALA A 54 1.445 -6.967 6.481 1.00 0.00 C ATOM 897 C ALA A 54 0.540 -7.270 5.291 1.00 0.00 C ATOM 898 O ALA A 54 -0.671 -7.435 5.446 1.00 0.00 O ATOM 899 CB ALA A 54 1.829 -5.496 6.493 1.00 0.00 C ATOM 0 H ALA A 54 3.515 -7.284 6.377 1.00 0.00 H new ATOM 0 HA ALA A 54 0.892 -7.194 7.393 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.927 -4.885 6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.429 -5.284 7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.406 -5.263 5.598 1.00 0.00 H new ATOM 905 N ILE A 55 1.134 -7.342 4.104 1.00 0.00 N ATOM 906 CA ILE A 55 0.380 -7.625 2.889 1.00 0.00 C ATOM 907 C ILE A 55 -0.235 -9.019 2.937 1.00 0.00 C ATOM 908 O ILE A 55 -1.419 -9.196 2.648 1.00 0.00 O ATOM 909 CB ILE A 55 1.268 -7.511 1.636 1.00 0.00 C ATOM 910 CG1 ILE A 55 1.666 -6.053 1.397 1.00 0.00 C ATOM 911 CG2 ILE A 55 0.546 -8.076 0.422 1.00 0.00 C ATOM 912 CD1 ILE A 55 3.009 -5.896 0.719 1.00 0.00 C ATOM 0 H ILE A 55 2.135 -7.208 3.958 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.415 -6.881 2.830 1.00 0.00 H new ATOM 0 HB ILE A 55 2.175 -8.093 1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.902 -5.572 0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.687 -5.529 2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.186 -7.988 -0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.310 -9.126 0.595 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.376 -7.519 0.255 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.226 -4.837 0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.784 -6.348 1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.986 -6.390 -0.252 1.00 0.00 H new ATOM 924 N GLU A 56 0.575 -10.006 3.304 1.00 0.00 N ATOM 925 CA GLU A 56 0.108 -11.385 3.390 1.00 0.00 C ATOM 926 C GLU A 56 -0.980 -11.526 4.450 1.00 0.00 C ATOM 927 O GLU A 56 -1.925 -12.300 4.289 1.00 0.00 O ATOM 928 CB GLU A 56 1.275 -12.322 3.712 1.00 0.00 C ATOM 929 CG GLU A 56 2.021 -12.811 2.483 1.00 0.00 C ATOM 930 CD GLU A 56 2.707 -14.144 2.708 1.00 0.00 C ATOM 931 OE1 GLU A 56 2.042 -15.076 3.208 1.00 0.00 O ATOM 932 OE2 GLU A 56 3.908 -14.257 2.386 1.00 0.00 O ATOM 0 H GLU A 56 1.557 -9.877 3.547 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.314 -11.660 2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.974 -11.805 4.369 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.897 -13.183 4.263 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.323 -12.902 1.651 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.765 -12.068 2.195 1.00 0.00 H new ATOM 939 N THR A 57 -0.841 -10.774 5.537 1.00 0.00 N ATOM 940 CA THR A 57 -1.809 -10.815 6.625 1.00 0.00 C ATOM 941 C THR A 57 -3.028 -9.958 6.308 1.00 0.00 C ATOM 942 O THR A 57 -4.111 -10.173 6.855 1.00 0.00 O ATOM 943 CB THR A 57 -1.187 -10.332 7.950 1.00 0.00 C ATOM 944 OG1 THR A 57 -0.344 -11.354 8.495 1.00 0.00 O ATOM 945 CG2 THR A 57 -2.270 -9.970 8.955 1.00 0.00 C ATOM 0 H THR A 57 -0.066 -10.128 5.687 1.00 0.00 H new ATOM 0 HA THR A 57 -2.117 -11.855 6.735 1.00 0.00 H new ATOM 0 HB THR A 57 -0.592 -9.442 7.745 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.553 -11.279 8.108 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.808 -9.632 9.882 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.892 -9.173 8.548 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.887 -10.846 9.156 1.00 0.00 H new ATOM 953 N LEU A 58 -2.848 -8.985 5.420 1.00 0.00 N ATOM 954 CA LEU A 58 -3.936 -8.094 5.029 1.00 0.00 C ATOM 955 C LEU A 58 -4.510 -8.500 3.676 1.00 0.00 C ATOM 956 O LEU A 58 -5.650 -8.955 3.585 1.00 0.00 O ATOM 957 CB LEU A 58 -3.441 -6.648 4.974 1.00 0.00 C ATOM 958 CG LEU A 58 -2.983 -6.044 6.302 1.00 0.00 C ATOM 959 CD1 LEU A 58 -2.255 -4.731 6.067 1.00 0.00 C ATOM 960 CD2 LEU A 58 -4.171 -5.839 7.231 1.00 0.00 C ATOM 0 H LEU A 58 -1.959 -8.793 4.958 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.726 -8.172 5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.611 -6.596 4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.241 -6.026 4.572 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.291 -6.739 6.777 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.936 -4.315 7.023 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.382 -4.906 5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.924 -4.028 5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.827 -5.408 8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.887 -5.163 6.763 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.651 -6.798 7.425 1.00 0.00 H new ATOM 972 N SER A 59 -3.713 -8.333 2.626 1.00 0.00 N ATOM 973 CA SER A 59 -4.143 -8.679 1.277 1.00 0.00 C ATOM 974 C SER A 59 -4.612 -10.129 1.211 1.00 0.00 C ATOM 975 O SER A 59 -3.839 -11.055 1.452 1.00 0.00 O ATOM 976 CB SER A 59 -3.003 -8.456 0.282 1.00 0.00 C ATOM 977 OG SER A 59 -3.469 -8.532 -1.054 1.00 0.00 O ATOM 0 H SER A 59 -2.765 -7.960 2.684 1.00 0.00 H new ATOM 0 HA SER A 59 -4.979 -8.032 1.013 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.549 -7.481 0.457 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.225 -9.203 0.442 1.00 0.00 H new ATOM 0 HG SER A 59 -2.721 -8.384 -1.670 1.00 0.00 H new ATOM 983 N GLY A 60 -5.887 -10.318 0.884 1.00 0.00 N ATOM 984 CA GLY A 60 -6.440 -11.658 0.793 1.00 0.00 C ATOM 985 C GLY A 60 -6.819 -12.221 2.148 1.00 0.00 C ATOM 986 O GLY A 60 -7.465 -13.265 2.236 1.00 0.00 O ATOM 0 H GLY A 60 -6.547 -9.568 0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.320 -11.642 0.150 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.712 -12.317 0.320 1.00 0.00 H new ATOM 990 N LYS A 61 -6.414 -11.531 3.209 1.00 0.00 N ATOM 991 CA LYS A 61 -6.715 -11.968 4.567 1.00 0.00 C ATOM 992 C LYS A 61 -7.509 -10.904 5.318 1.00 0.00 C ATOM 993 O LYS A 61 -7.725 -11.012 6.525 1.00 0.00 O ATOM 994 CB LYS A 61 -5.420 -12.280 5.322 1.00 0.00 C ATOM 995 CG LYS A 61 -4.939 -13.710 5.138 1.00 0.00 C ATOM 996 CD LYS A 61 -5.767 -14.686 5.954 1.00 0.00 C ATOM 997 CE LYS A 61 -5.230 -14.825 7.371 1.00 0.00 C ATOM 998 NZ LYS A 61 -5.748 -16.048 8.044 1.00 0.00 N ATOM 0 H LYS A 61 -5.876 -10.666 3.154 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.321 -12.872 4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.640 -11.597 4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.574 -12.091 6.384 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.992 -13.980 4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.892 -13.784 5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.802 -14.347 5.988 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.767 -15.661 5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.141 -14.859 7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.508 -13.946 7.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.359 -16.106 9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.786 -16.004 8.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.462 -16.889 7.504 1.00 0.00 H new ATOM 1012 N VAL A 62 -7.944 -9.876 4.595 1.00 0.00 N ATOM 1013 CA VAL A 62 -8.717 -8.795 5.193 1.00 0.00 C ATOM 1014 C VAL A 62 -9.723 -8.224 4.199 1.00 0.00 C ATOM 1015 O VAL A 62 -9.368 -7.874 3.074 1.00 0.00 O ATOM 1016 CB VAL A 62 -7.802 -7.659 5.689 1.00 0.00 C ATOM 1017 CG1 VAL A 62 -8.606 -6.389 5.923 1.00 0.00 C ATOM 1018 CG2 VAL A 62 -7.072 -8.078 6.957 1.00 0.00 C ATOM 0 H VAL A 62 -7.774 -9.770 3.595 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.251 -9.220 6.043 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.058 -7.453 4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.943 -5.598 6.273 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.078 -6.080 4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.374 -6.577 6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.430 -7.264 7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.799 -8.312 7.735 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.463 -8.959 6.752 1.00 0.00 H new ATOM 1028 N GLU A 63 -10.980 -8.134 4.624 1.00 0.00 N ATOM 1029 CA GLU A 63 -12.038 -7.607 3.770 1.00 0.00 C ATOM 1030 C GLU A 63 -12.638 -6.339 4.370 1.00 0.00 C ATOM 1031 O GLU A 63 -13.005 -6.307 5.545 1.00 0.00 O ATOM 1032 CB GLU A 63 -13.133 -8.657 3.569 1.00 0.00 C ATOM 1033 CG GLU A 63 -14.278 -8.181 2.692 1.00 0.00 C ATOM 1034 CD GLU A 63 -15.494 -9.082 2.782 1.00 0.00 C ATOM 1035 OE1 GLU A 63 -15.982 -9.309 3.910 1.00 0.00 O ATOM 1036 OE2 GLU A 63 -15.958 -9.560 1.726 1.00 0.00 O ATOM 0 H GLU A 63 -11.290 -8.419 5.553 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.601 -7.360 2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.692 -9.549 3.124 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.528 -8.948 4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.558 -7.169 2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.942 -8.133 1.656 1.00 0.00 H new ATOM 1043 N LEU A 64 -12.734 -5.294 3.555 1.00 0.00 N ATOM 1044 CA LEU A 64 -13.290 -4.022 4.003 1.00 0.00 C ATOM 1045 C LEU A 64 -14.553 -3.674 3.221 1.00 0.00 C ATOM 1046 O LEU A 64 -14.542 -3.632 1.990 1.00 0.00 O ATOM 1047 CB LEU A 64 -12.255 -2.907 3.845 1.00 0.00 C ATOM 1048 CG LEU A 64 -12.385 -1.729 4.811 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -12.536 -2.224 6.241 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -11.182 -0.803 4.689 1.00 0.00 C ATOM 0 H LEU A 64 -12.434 -5.303 2.580 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.553 -4.119 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.262 -3.341 3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.316 -2.524 2.826 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.280 -1.166 4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.627 -1.371 6.914 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.429 -2.845 6.319 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.660 -2.812 6.517 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.292 0.030 5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.272 -1.355 4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.120 -0.420 3.671 1.00 0.00 H new ATOM 1062 N HIS A 65 -15.639 -3.421 3.943 1.00 0.00 N ATOM 1063 CA HIS A 65 -16.910 -3.073 3.318 1.00 0.00 C ATOM 1064 C HIS A 65 -17.388 -4.193 2.400 1.00 0.00 C ATOM 1065 O HIS A 65 -17.956 -3.939 1.338 1.00 0.00 O ATOM 1066 CB HIS A 65 -16.773 -1.772 2.527 1.00 0.00 C ATOM 1067 CG HIS A 65 -17.008 -0.543 3.349 1.00 0.00 C ATOM 1068 ND1 HIS A 65 -18.263 -0.025 3.589 1.00 0.00 N ATOM 1069 CD2 HIS A 65 -16.139 0.273 3.991 1.00 0.00 C ATOM 1070 CE1 HIS A 65 -18.156 1.056 4.341 1.00 0.00 C ATOM 1071 NE2 HIS A 65 -16.877 1.257 4.600 1.00 0.00 N ATOM 0 H HIS A 65 -15.665 -3.450 4.962 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.649 -2.934 4.107 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.774 -1.724 2.094 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -17.480 -1.785 1.697 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -15.064 0.169 4.019 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -18.975 1.670 4.685 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.499 2.020 5.162 1.00 0.00 H new ATOM 1079 N GLY A 66 -17.153 -5.434 2.815 1.00 0.00 N ATOM 1080 CA GLY A 66 -17.564 -6.574 2.017 1.00 0.00 C ATOM 1081 C GLY A 66 -16.666 -6.797 0.817 1.00 0.00 C ATOM 1082 O GLY A 66 -16.831 -7.769 0.080 1.00 0.00 O ATOM 0 H GLY A 66 -16.685 -5.670 3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.562 -7.469 2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.589 -6.425 1.677 1.00 0.00 H new ATOM 1086 N LYS A 67 -15.712 -5.893 0.617 1.00 0.00 N ATOM 1087 CA LYS A 67 -14.783 -5.995 -0.502 1.00 0.00 C ATOM 1088 C LYS A 67 -13.379 -6.339 -0.015 1.00 0.00 C ATOM 1089 O LYS A 67 -12.865 -5.714 0.914 1.00 0.00 O ATOM 1090 CB LYS A 67 -14.755 -4.682 -1.288 1.00 0.00 C ATOM 1091 CG LYS A 67 -16.123 -4.229 -1.766 1.00 0.00 C ATOM 1092 CD LYS A 67 -16.121 -2.760 -2.151 1.00 0.00 C ATOM 1093 CE LYS A 67 -15.510 -2.546 -3.528 1.00 0.00 C ATOM 1094 NZ LYS A 67 -16.350 -3.140 -4.605 1.00 0.00 N ATOM 0 H LYS A 67 -15.562 -5.081 1.216 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.127 -6.796 -1.156 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.322 -3.902 -0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.099 -4.799 -2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.427 -4.830 -2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.859 -4.399 -0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.142 -2.379 -2.142 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.561 -2.189 -1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.388 -1.478 -3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.515 -2.990 -3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.130 -2.679 -5.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.152 -4.158 -4.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.355 -2.998 -4.379 1.00 0.00 H new ATOM 1108 N ILE A 68 -12.766 -7.333 -0.647 1.00 0.00 N ATOM 1109 CA ILE A 68 -11.421 -7.756 -0.279 1.00 0.00 C ATOM 1110 C ILE A 68 -10.391 -6.689 -0.635 1.00 0.00 C ATOM 1111 O ILE A 68 -10.364 -6.188 -1.758 1.00 0.00 O ATOM 1112 CB ILE A 68 -11.036 -9.076 -0.973 1.00 0.00 C ATOM 1113 CG1 ILE A 68 -12.001 -10.191 -0.566 1.00 0.00 C ATOM 1114 CG2 ILE A 68 -9.603 -9.457 -0.632 1.00 0.00 C ATOM 1115 CD1 ILE A 68 -11.778 -10.700 0.840 1.00 0.00 C ATOM 0 H ILE A 68 -13.179 -7.861 -1.416 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.424 -7.909 0.800 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.106 -8.936 -2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.024 -9.825 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.899 -11.021 -1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.347 -10.392 -1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.928 -8.670 -0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.507 -9.582 0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.498 -11.489 1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.767 -11.097 0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -11.909 -9.882 1.548 1.00 0.00 H new ATOM 1127 N MET A 69 -9.545 -6.346 0.331 1.00 0.00 N ATOM 1128 CA MET A 69 -8.511 -5.340 0.119 1.00 0.00 C ATOM 1129 C MET A 69 -7.283 -5.954 -0.547 1.00 0.00 C ATOM 1130 O MET A 69 -6.847 -7.043 -0.179 1.00 0.00 O ATOM 1131 CB MET A 69 -8.115 -4.696 1.449 1.00 0.00 C ATOM 1132 CG MET A 69 -6.976 -5.411 2.156 1.00 0.00 C ATOM 1133 SD MET A 69 -6.835 -4.947 3.892 1.00 0.00 S ATOM 1134 CE MET A 69 -6.282 -3.250 3.744 1.00 0.00 C ATOM 0 H MET A 69 -9.555 -6.750 1.268 1.00 0.00 H new ATOM 0 HA MET A 69 -8.916 -4.573 -0.542 1.00 0.00 H new ATOM 0 HB2 MET A 69 -7.827 -3.660 1.270 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.984 -4.676 2.106 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.128 -6.488 2.083 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.039 -5.186 1.647 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.488 -3.062 4.467 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.904 -3.077 2.736 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.117 -2.577 3.939 1.00 0.00 H new ATOM 1144 N GLU A 70 -6.732 -5.247 -1.529 1.00 0.00 N ATOM 1145 CA GLU A 70 -5.556 -5.724 -2.246 1.00 0.00 C ATOM 1146 C GLU A 70 -4.354 -4.823 -1.981 1.00 0.00 C ATOM 1147 O GLU A 70 -4.402 -3.617 -2.224 1.00 0.00 O ATOM 1148 CB GLU A 70 -5.838 -5.788 -3.749 1.00 0.00 C ATOM 1149 CG GLU A 70 -6.404 -7.121 -4.206 1.00 0.00 C ATOM 1150 CD GLU A 70 -6.576 -7.197 -5.711 1.00 0.00 C ATOM 1151 OE1 GLU A 70 -5.552 -7.281 -6.421 1.00 0.00 O ATOM 1152 OE2 GLU A 70 -7.733 -7.172 -6.178 1.00 0.00 O ATOM 0 H GLU A 70 -7.081 -4.343 -1.846 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.324 -6.726 -1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.539 -4.996 -4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.914 -5.590 -4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.743 -7.923 -3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.368 -7.286 -3.725 1.00 0.00 H new ATOM 1159 N VAL A 71 -3.275 -5.417 -1.480 1.00 0.00 N ATOM 1160 CA VAL A 71 -2.060 -4.668 -1.181 1.00 0.00 C ATOM 1161 C VAL A 71 -0.890 -5.163 -2.022 1.00 0.00 C ATOM 1162 O VAL A 71 -0.581 -6.356 -2.036 1.00 0.00 O ATOM 1163 CB VAL A 71 -1.687 -4.775 0.310 1.00 0.00 C ATOM 1164 CG1 VAL A 71 -0.646 -3.728 0.677 1.00 0.00 C ATOM 1165 CG2 VAL A 71 -2.927 -4.634 1.180 1.00 0.00 C ATOM 0 H VAL A 71 -3.218 -6.414 -1.273 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.263 -3.625 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.255 -5.760 0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.395 -3.819 1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.251 -3.881 0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.047 -2.733 0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.645 -4.712 2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.390 -3.664 0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.636 -5.425 0.935 1.00 0.00 H new ATOM 1175 N ASP A 72 -0.240 -4.241 -2.724 1.00 0.00 N ATOM 1176 CA ASP A 72 0.899 -4.582 -3.568 1.00 0.00 C ATOM 1177 C ASP A 72 1.847 -3.395 -3.709 1.00 0.00 C ATOM 1178 O ASP A 72 1.411 -2.253 -3.855 1.00 0.00 O ATOM 1179 CB ASP A 72 0.419 -5.034 -4.949 1.00 0.00 C ATOM 1180 CG ASP A 72 1.412 -5.953 -5.634 1.00 0.00 C ATOM 1181 OD1 ASP A 72 1.598 -7.090 -5.153 1.00 0.00 O ATOM 1182 OD2 ASP A 72 2.002 -5.534 -6.652 1.00 0.00 O ATOM 0 H ASP A 72 -0.483 -3.250 -2.725 1.00 0.00 H new ATOM 0 HA ASP A 72 1.440 -5.400 -3.093 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.537 -5.547 -4.848 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.246 -4.159 -5.575 1.00 0.00 H new ATOM 1187 N TYR A 73 3.145 -3.673 -3.662 1.00 0.00 N ATOM 1188 CA TYR A 73 4.155 -2.628 -3.780 1.00 0.00 C ATOM 1189 C TYR A 73 3.727 -1.569 -4.792 1.00 0.00 C ATOM 1190 O TYR A 73 3.039 -1.869 -5.767 1.00 0.00 O ATOM 1191 CB TYR A 73 5.497 -3.232 -4.193 1.00 0.00 C ATOM 1192 CG TYR A 73 6.057 -4.212 -3.186 1.00 0.00 C ATOM 1193 CD1 TYR A 73 6.187 -3.863 -1.847 1.00 0.00 C ATOM 1194 CD2 TYR A 73 6.456 -5.485 -3.573 1.00 0.00 C ATOM 1195 CE1 TYR A 73 6.697 -4.754 -0.924 1.00 0.00 C ATOM 1196 CE2 TYR A 73 6.967 -6.383 -2.657 1.00 0.00 C ATOM 1197 CZ TYR A 73 7.086 -6.014 -1.333 1.00 0.00 C ATOM 1198 OH TYR A 73 7.595 -6.905 -0.416 1.00 0.00 O ATOM 0 H TYR A 73 3.523 -4.613 -3.543 1.00 0.00 H new ATOM 0 HA TYR A 73 4.264 -2.151 -2.806 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.379 -3.737 -5.152 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.217 -2.427 -4.343 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.884 -2.878 -1.523 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.365 -5.778 -4.609 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.791 -4.467 0.113 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.272 -7.369 -2.975 1.00 0.00 H new ATOM 0 HH TYR A 73 7.819 -7.746 -0.867 1.00 0.00 H new ATOM 1208 N SER A 74 4.143 -0.329 -4.553 1.00 0.00 N ATOM 1209 CA SER A 74 3.801 0.775 -5.440 1.00 0.00 C ATOM 1210 C SER A 74 4.973 1.120 -6.354 1.00 0.00 C ATOM 1211 O SER A 74 5.207 2.287 -6.671 1.00 0.00 O ATOM 1212 CB SER A 74 3.397 2.005 -4.626 1.00 0.00 C ATOM 1213 OG SER A 74 4.526 2.610 -4.019 1.00 0.00 O ATOM 0 H SER A 74 4.717 -0.065 -3.752 1.00 0.00 H new ATOM 0 HA SER A 74 2.959 0.464 -6.058 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.899 2.726 -5.274 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.679 1.717 -3.859 1.00 0.00 H new ATOM 0 HG SER A 74 4.788 2.094 -3.228 1.00 0.00 H new